2,2-dimethyl-N-[1-oxo-3-phenyl-1-(1-phenylethylamino)propan-2-yl]propanamide

C22H28N2O2 — CID 59684320

IUPAC2,2-dimethyl-N-[1-oxo-3-phenyl-1-(1-phenylethylamino)propan-2-yl]propanamide
SMILESCC(NC(=O)C(Cc1ccccc1)NC(=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C22H28N2O2/c1-16(18-13-9-6-10-14-18)23-20(25)19(24-21(26)22(2,3)4)15-17-11-7-5-8-12-17/h5-14,16,19H,15H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyPDPINGVXYHICHN-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.64
Rot. Bonds6

About 2,2-dimethyl-N-[1-oxo-3-phenyl-1-(1-phenylethylamino)propan-2-yl]propanamide

2,2-dimethyl-N-[1-oxo-3-phenyl-1-(1-phenylethylamino)propan-2-yl]propanamide (PubChem CID 59684320) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-oxo-3-phenyl-1-(1-phenylethylamino)propan-2-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-oxo-3-phenyl-1-(1-phenylethylamino)propan-2-yl]propanamide
PubChem CID59684320
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name2,2-dimethyl-N-[1-oxo-3-phenyl-1-(1-phenylethylamino)propan-2-yl]propanamide
SMILESCC(NC(=O)C(Cc1ccccc1)NC(=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C22H28N2O2/c1-16(18-13-9-6-10-14-18)23-20(25)19(24-21(26)22(2,3)4)15-17-11-7-5-8-12-17/h5-14,16,19H,15H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyPDPINGVXYHICHN-UHFFFAOYSA-N
XLogP3.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 4252554
2-benzyl-N,N'-bis(1-phenylethyl)propanediamide
CID 3756499
2,2-dimethyl-N-[(2R)-3-oxo-1-phenylpentan-2-yl]propanamide
CID 67704235
N-[(1S)-1,2-diphenylethyl]-2,2-dimethylpropanamide
CID 41097241
2-(2,2-dimethylpropanoylamino)-3-phenylpropanoyl chloride;propan-2-one
CID 174435245
2-amino-3-phenyl-N-(1-phenylethyl)propanamide
CID 24709310
N-[(2S)-1-[2-(2,2-dimethylpropylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]-2,2-dimethylpropanamide
CID 164831418
N-[(2S)-1-[[2-(2,2-dimethylpropylamino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]-2,2-dimethylpropanamide
CID 177098095
2-[(2-methoxyphenyl)carbamoylamino]-3-phenyl-N-(1-phenylethyl)propanamide
CID 42701995
2-methoxy-3-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 102395814
(2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 16753350
(2S)-2-(2,2-dimethylpropanoylamino)-4-phenylbutanoic acid
CID 104983118

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-oxo-3-phenyl-1-(1-phenylethylamino)propan-2-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[1-oxo-3-phenyl-1-(1-phenylethylamino)propan-2-yl]propanamide (CID 59684320) is 2,2-dimethyl-N-[1-oxo-3-phenyl-1-(1-phenylethylamino)propan-2-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[1-oxo-3-phenyl-1-(1-phenylethylamino)propan-2-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[1-oxo-3-phenyl-1-(1-phenylethylamino)propan-2-yl]propanamide is CC(NC(=O)C(Cc1ccccc1)NC(=O)C(C)(C)C)c1ccccc1.
What is the InChIKey of 2,2-dimethyl-N-[1-oxo-3-phenyl-1-(1-phenylethylamino)propan-2-yl]propanamide?
The InChIKey is PDPINGVXYHICHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-16(18-13-9-6-10-14-18)23-20(25)19(24-21(26)22(2,3)4)15-17-11-7-5-8-12-17/h5-14,16,19H,15H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of 2,2-dimethyl-N-[1-oxo-3-phenyl-1-(1-phenylethylamino)propan-2-yl]propanamide?
2,2-dimethyl-N-[1-oxo-3-phenyl-1-(1-phenylethylamino)propan-2-yl]propanamide has a molecular weight of 352.48 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-oxo-3-phenyl-1-(1-phenylethylamino)propan-2-yl]propanamide is sourced from PubChem (CID 59684320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).